2,4-ジフルオロ-1-ヨードベンゼン

2,4-Difluoro-1-iodobenzene

HCID 137519

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2265-93-2
標準SMILES: Fc1ccc(I)c(F)c1
InChIKey: YKLDMAPEGQYZRT-UHFFFAOYSA-N
分子式: C6H3F2I
平均分子量: 239.99 g/mol
単同位体質量: 239.92475

名称と識別子

優先名称: 2,4-Difluoro-1-iodobenzene
IUPAC: 2,4-difluoro-1-iodobenzene
現地名: 2,4-ジフルオロ-1-ヨードベンゼン
英語名: 2,4-Difluoroiodobenzene
分子式: C6H3F2I
分子量: 239.99

名称と別名

2,4-Difluoro-1-iodobenzeneRefChem:443520629-507-02,4-Difluoroiodobenzene2265-93-21,3-Difluoro-4-iodobenzeneMFCD00040151Benzene, 2,4-difluoro-1-iodo-2,4-difluoro iodobenzene2,4-difluoro-1-iodo-benzene2,4-difluoro-iodobenzeneDTXSID70177192

名称をさらに表示

2,4-ジフルオロ-1-ヨードベンゼン2,4-ジフルオロ-1-ヨウ化ベンゼン1,3-ジフルオロ-4-ヨードベンゼン2,4-ジフルオロヨードベンゼン2,4-ジフルオロヨードベンゼン, 98%2,4-Difluoro-1-iodobenze2,4-Difluoroiodobenzene98%2,4-Difluoroiodobenzene 98%2,4-Difluoro-1-iodobenzene>2,4-Difluoroiodobenzene, 97+%2,4-Difluoroiodobenzene, 99+%

NSC 68264AKOS005254541CS-W010293AC-7207GS-6052MB00398SY005121D2545

データベース識別子

CAS: 2265-93-2
PubChem CID: 137519
DTXSID: DTXSID70177192
EC Number: 629-507-0
Nikkaji: J1.280.264A

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 97

物理化学的性質

沸点: 175 · 175-176 °C (lit.)
比重(密度): 2.006 g/mL · 2.006 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.557(lit.)
闪点: 154 °F · 154 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Yellow to Green
比重: 2.006 · 2.006
水溶解度: 不溶性
BRN: 2081078 · 2081078
CAS データベース: 2265 · 2265-93-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,3-Difluoro-4-iodobenzene(2265-93-2)

化学的性質

化学的特性CLEAR LIGHT YELLOW TO SLIGHTLY BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: IRRITANT

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2,4-Difluoroiodobenzene may be used in the preparation of:1,2,4-tris(1H-pyrazolyl)benzene, by reaction with pyrazole catalyzed by Cu2O, salicylaldoxime and Cs2CO3 in acetonitrile3-(2,4-difluorophenyl)-2-propyn-1-olN-(2-((2,4-difluorophenyl)thio)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methanesulfonamide.

一般的な説明Arylation reactions of 2,4-difluoroiodobenzene with NH-heterocycles [specifically, pyrazole, 3-(trifluoromethyl)pyrazole, imidazole and pyrrole] has been reported.